Vitas-M small molecule compound
4-(2-chloro-4-fluorophenyl)-3-methyl-1-(9H-purin-6-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL287801
SMILES O=C1CSC(c2c(N1)n(nc2C)c1ncnc2c1nc[nH]2)c1ccc(cc1Cl)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H13ClFN7OS MW 429.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClFN7OS/c1-8-13-15(10-3-2-9(20)4-11(10)19)29-5-12(28)25-17(13)27(26-8)18-14-16(22-6-21-14)23-7-24-18/h2-4,6-7,15H,5H2,1H3,(H,25,28)(H,21,22,23,24)InChIKey
LTPLTHCDCWVNFI-UHFFFAOYSA-NSynonyms
1144433-25-91144433259
4(2chloro4fluorophenyl)3methyl1(9Hpurin6yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(2chloro4fluorophenyl)3methyl1(9Hpurin6yl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
MFCD12214202
O=C1CSC(c2c(N1)n(nc2C)c1ncnc2c1nc(nH)2)c1ccc(cc1Cl)F
ZINC000031809031
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